Ketcher 04172316042D 1 1.00000 0.00000 0 75 78 0 1 0 999 V2000 0.8661 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9281 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6601 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5262 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6601 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2583 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1242 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2583 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5262 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3303 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 -0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -0.1636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 0.4944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1393 -4.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -4.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8302 -5.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8302 -5.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0903 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -4.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2982 -2.8007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2492 -2.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9924 -3.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4572 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 -0.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 -1.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9434 -2.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1514 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1024 -1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8456 -2.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6377 -3.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6865 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9281 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 1 2 1 0 0 0 32 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 2 0 0 0 3 6 1 0 0 0 2 6 2 0 0 0 7 8 1 0 0 0 28 7 1 0 0 0 9 8 1 0 0 0 8 17 2 0 0 0 9 16 1 0 0 0 9 69 1 1 0 0 16 10 1 0 0 0 11 10 1 0 0 0 10 12 2 0 0 0 11 13 1 0 0 0 11 19 1 1 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 18 2 0 0 0 37 20 1 0 0 0 21 20 1 0 0 0 20 24 2 0 0 0 21 22 1 6 0 0 21 25 1 0 0 0 22 23 1 0 0 0 26 23 1 0 0 0 23 36 2 0 0 0 25 38 1 1 0 0 25 39 1 0 0 0 26 34 1 0 0 0 26 32 1 1 0 0 34 27 1 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 28 30 1 6 0 0 30 31 1 0 0 0 30 35 1 0 0 0 42 37 1 0 0 0 39 40 1 0 0 0 41 42 1 0 0 0 41 49 2 0 0 0 51 41 1 0 0 0 42 43 1 1 0 0 43 44 1 0 0 0 44 45 2 0 0 0 44 48 1 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 50 51 1 0 0 0 50 54 1 0 0 0 50 55 1 6 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 55 57 1 0 0 0 55 56 2 0 0 0 58 57 1 0 0 0 58 59 1 6 0 0 58 60 1 0 0 0 59 63 1 0 0 0 60 61 2 0 0 0 60 62 1 0 0 0 63 64 2 0 0 0 63 68 1 0 0 0 64 65 1 0 0 0 65 66 2 0 0 0 66 67 1 0 0 0 67 68 2 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 2 0 0 0 73 75 1 0 0 0 M END > CHEBI:2719 > Ile(5)-angiotensin II > An angiotensin II that acts on the central nervous system (PDB entry: 1N9V). > 3 > CHEBI:131170 > N-(1-(N-(N-(N-(N-(N(2)-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine; isoleucine(5)-angiotensin II; Hypertensin; human angiotensin II; Asp-Arg-Val-Tyr-Ile-His-Pro-Phe; Angiotonin; angiotensin II (mouse); angiotensin II (human); Angiotensin II; Angiotensin; 5-L-isoleucineangiotensin II; 5-isoleucine-angiotensin II > L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine > angiotensin II > C50H71N13O12 > 1046.197 > 1045.53451 > 0 > CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O > InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1 > CZGUSIXMZVURDU-JZXHSEFVSA-N > 4289487 > 11128-99-7 > 4289487 > 4474-91-3 > C02135 > LSM-42772 > 16672146 $$$$